Moscow University Chemistry Bulletin, volume 75, issue 2, pages 72-76

Estimation of Dissociation Constant of ARS-1620 Complex with KRAS(G12C) Protein by Molecular Modeling

Publication type: Journal Article
Publication date: 2020-03-01
Quartile SCImago
Q4
Quartile WOS
—
Impact factor: 0.6
ISSN: 00271314, 19350260
General Chemistry
Abstract
The paper presents the results of the estimation of the KRASG12C ⋅ GDP ⋅ ARS-1620 complex dissociation constant. The ARS-1620 is a potential inhibitor of the cellular signal transduction of the KRAS enzyme with the oncogenic G12C mutation. The value of the dissociation constant estimated by molecular docking is 280 nM and 0.3 ± 0.1 nM within the molecular dynamics combined with the Hamiltonian replica exchange umbrella sampling approach.
By date By citations
Metrics
Share
Cite this
GOST |
Cite this
GOST Copy
Kulakova A. M. et al. Estimation of Dissociation Constant of ARS-1620 Complex with KRAS(G12C) Protein by Molecular Modeling // Moscow University Chemistry Bulletin. 2020. Vol. 75. No. 2. pp. 72-76.
GOST all authors (up to 50) Copy
Kulakova A. M., Zakharova T. M., Mulashkin F. D., Terekhova E. O., Khrenova M. G. Estimation of Dissociation Constant of ARS-1620 Complex with KRAS(G12C) Protein by Molecular Modeling // Moscow University Chemistry Bulletin. 2020. Vol. 75. No. 2. pp. 72-76.
RIS |
Cite this
RIS Copy
TY - JOUR
DO - 10.3103/S0027131420020054
UR - https://doi.org/10.3103%2FS0027131420020054
TI - Estimation of Dissociation Constant of ARS-1620 Complex with KRAS(G12C) Protein by Molecular Modeling
T2 - Moscow University Chemistry Bulletin
AU - Kulakova, A M
AU - Zakharova, T M
AU - Mulashkin, F D
AU - Terekhova, E O
AU - Khrenova, M. G.
PY - 2020
DA - 2020/03/01 00:00:00
PB - Pleiades Publishing
SP - 72-76
IS - 2
VL - 75
SN - 0027-1314
SN - 1935-0260
ER -
BibTex |
Cite this
BibTex Copy
@article{2020_Kulakova,
author = {A M Kulakova and T M Zakharova and F D Mulashkin and E O Terekhova and M. G. Khrenova},
title = {Estimation of Dissociation Constant of ARS-1620 Complex with KRAS(G12C) Protein by Molecular Modeling},
journal = {Moscow University Chemistry Bulletin},
year = {2020},
volume = {75},
publisher = {Pleiades Publishing},
month = {mar},
url = {https://doi.org/10.3103%2FS0027131420020054},
number = {2},
pages = {72--76},
doi = {10.3103/S0027131420020054}
}
MLA
Cite this
MLA Copy
Kulakova, A. M., et al. “Estimation of Dissociation Constant of ARS-1620 Complex with KRAS(G12C) Protein by Molecular Modeling.” Moscow University Chemistry Bulletin, vol. 75, no. 2, Mar. 2020, pp. 72-76. https://doi.org/10.3103%2FS0027131420020054.
Found error?